SCHEMBL3545345

SCHEMBL3545345

C=Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
SCD5 Q86SK9 8/20 0.49
SCD O00767 2/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.44
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3542458 0.90 SCD5 (0.60) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3546275 0.87 SCD5 (0.52) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3545834 0.87 RAB9A (0.52) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3543132 0.87 HCRTR1 (0.56) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3546895 0.87 SCD5 (0.52) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3552366 0.87 RAB9A (0.61) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3542198 0.85 HCRTR1 (0.51) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3969564 0.85 HCRTR1 (0.51) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3551884 0.85 HCRTR1 (0.52) HCRTR1HCRTR2SCD5SCDRAB9A
SCHEMBL3552656 0.84 SCD5 (0.56) HCRTR1HCRTR2SCD5SCDRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 HCRTR1 314/4885HCRTR2 531/4885SCD5 1155/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.